Synonyms
(S,S)-4,6-Bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene;929896-22-0;MFCD27976810;ZINC96029563;B4196;4,6-Bis[(4S)-4beta-isopropyl-2-oxazoline-2-yl]-m-xylene;(S,S)-2,2'-(4,6-m-Xylenediyl)bis(4-isopropyl-2-oxazoline);
IUPAC Name
(4S)-2-[2,4-dimethyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole;
Molecular Weight
328.456g/mol
Molecular Formula
C20H28N2O2;
Canonical SMILES
CC1=CC(=C(C=C1C2=NC(CO2)C(C)C)C3=NC(CO3)C(C)C)C;
InChI
InChI=1S/C20H28N2O2/c1-11(2)17-9-23-19(21-17)15-8-16(14(6)7-13(15)5)20-22-18(10-24-20)12(3)4/h7-8,11-12,17-18H,9-10H2,1-6H3/t17-,18-/m1/s1;
InChI Key
WRIRILQZUGPIMT-QZTJIDSGSA-N;
Complexity
468
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Exact Mass
328.215g/mol
H-Bond Acceptor
4
Heavy Atom Count
24
Monoisotopic Mass
328.215g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
43.2A^2
